Geometry & MOs

Info

ID:	67923
PubChem CID:	46507435
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	1.81
IP(EA), eV:	-8.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-[4-[5-(4-methoxyphenyl)thiophen-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCN(CC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations